6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C24H27N7O — CID 169267645

About 6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 169267645) has the molecular formula C24H27N7O and a molecular weight of 429.53 g/mol. Its IUPAC name is 6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
• PubChem CID: 169267645
• Molecular Formula: C24H27N7O
• Molecular Weight: 429.53 g/mol
• Exact Mass: 429.23
• IUPAC Name: 6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
• SMILES: CC(=N\C1CCNCC1)/C(=C\N)c1cc(OC(C)c2ccccn2)c2c(C#N)cnn2c1
• InChI: InChI=1S/C24H27N7O/c1-16(30-20-6-9-27-10-7-20)21(13-26)18-11-23(24-19(12-25)14-29-31(24)15-18)32-17(2)22-5-3-4-8-28-22/h3-5,8,11,13-15,17,20,27H,6-7,9-10,26H2,1-2H3/b21-13+,30-16+
• InChIKey: VLEAKWFSTLPARR-ALGWYVGPSA-N
• XLogP: 3.25
• TPSA: 113.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.53
LogP ≤ 5	3.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The IUPAC name of 6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 169267645) is 6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

What is the SMILES notation for 6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The canonical SMILES for 6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(=N\C1CCNCC1)/C(=C\N)c1cc(OC(C)c2ccccn2)c2c(C#N)cnn2c1.

What is the InChIKey of 6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

The InChIKey is VLEAKWFSTLPARR-ALGWYVGPSA-N. The full InChI is InChI=1S/C24H27N7O/c1-16(30-20-6-9-27-10-7-20)21(13-26)18-11-23(24-19(12-25)14-29-31(24)15-18)32-17(2)22-5-3-4-8-28-22/h3-5,8,11,13-15,17,20,27H,6-7,9-10,26H2,1-2H3/b21-13+,30-16+.

What are the key properties of 6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?

6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 429.53 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 169267645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).